CID 55659

87236-21-3

Structural Information

Molecular Formula
C15H14N2O2
SMILES
C1CCC(C1)N2C=NC3=C2C4=CC=CC=C4OC3=O
InChI
InChI=1S/C15H14N2O2/c18-15-13-14(11-7-3-4-8-12(11)19-15)17(9-16-13)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2
InChIKey
VGNRXPVNAIVSPE-UHFFFAOYSA-N
Compound name
1-cyclopentylchromeno[3,4-d]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

254.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 154.0
[M+Na]+ 277.09475 164.8
[M-H]- 253.09825 161.5
[M+NH4]+ 272.13935 172.7
[M+K]+ 293.06869 161.1
[M+H-H2O]+ 237.10279 146.5
[M+HCOO]- 299.10373 174.8
[M+CH3COO]- 313.11938 167.4
[M+Na-2H]- 275.08020 158.6
[M]+ 254.10498 156.1
[M]- 254.10608 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe